SCHEMBL13631102

SCHEMBL13631102

CCOC(=O)C[C@@H]1CCC(NC(=O)OC(C)(C)C)CN1Cc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 2/20 0.41
CACNA1B Q00975 1/20 0.40
ALDH1A1 P00352 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CTSK P43235 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GLA P06280 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7794347 1.00 L3MBTL1 (0.41) L3MBTL1KMT2ACACNA1BALDH1A1OPRM1
SCHEMBL13434257 1.00 L3MBTL1 (0.41) L3MBTL1KMT2ACACNA1BALDH1A1OPRM1
SCHEMBL13434256 1.00 L3MBTL1 (0.41) L3MBTL1KMT2ACACNA1BALDH1A1OPRM1
SCHEMBL12353629 0.92 KMT2A (0.43) L3MBTL1KMT2AALDH1A1OPRK1CTSK
SCHEMBL13088860 0.89 L3MBTL1 (0.46) L3MBTL1KMT2AALDH1A1CTSKSIGMAR1
SCHEMBL2816591 0.89 L3MBTL1 (0.46) L3MBTL1KMT2AALDH1A1CTSKSIGMAR1
SCHEMBL3487334 0.89 L3MBTL1 (0.46) L3MBTL1KMT2AALDH1A1CTSKSIGMAR1
SCHEMBL12361787 0.83 ALDH1A1 (0.41) L3MBTL1KMT2AALDH1A1OPRM1OPRK1
SCHEMBL13434260 0.83 ALDH1A1 (0.41) L3MBTL1KMT2AALDH1A1OPRM1OPRK1
SCHEMBL13630926 0.83 ALDH1A1 (0.41) L3MBTL1KMT2AALDH1A1OPRM1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed